2-Mercapto-benzothiazole-6-carboxylic acid
TL;DR: 2-Mercapto-benzothiazole-6-carboxylic acid (CAS 84092-99-9) is a chemical compound with molecular formula C8H5NO2S2 and molecular weight 210.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylidene-3H-1,3-benzothiazole-6-carboxylic acid
Also Known As: 2-Mercapto-benzothiazole-6-carboxylic acid, 2-Sulfanyl-1,3-benzothiazole-6-carboxylic acid, 2-Thioxo-2,3-dihydrobenzo[d]thiazole-6-carboxylic acid, 2-MERCAPTOBENZO[D]THIAZOLE-6-CARBOXYLIC ACID, 2-sulfanylbenzothiazole-6-carboxylic acid
| Molecular Formula | C8H5NO2S2 |
|---|---|
| Molecular Weight | 210.98 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.97617 |
| Heavy Atoms | 13 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 84092-99-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(=O)O)SC(=S)N2 |
| InChIKey | GJZGGNOKWQKDIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Mercapto-benzothiazole-6-carboxylic acid (CAS 84092-99-9), with molecular formula C8H5NO2S2 and molecular weight 210.98 g/mol. IUPAC: 2-sulfanylidene-3H-1,3-benzothiazole-6-carboxylic acid.
Chemical Property Profile of 2-Mercapto-benzothiazole-6-carboxylic acid
Property Insights of 2-Mercapto-benzothiazole-6-carboxylic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercapto-benzothiazole-6-carboxylic acid. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Mercapto-benzothiazole-6-carboxylic acid. Following Lipinski's Rule of Five, 2-Mercapto-benzothiazole-6-carboxylic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Mercapto-benzothiazole-6-carboxylic acid?
The CAS number of 2-Mercapto-benzothiazole-6-carboxylic acid is 84092-99-9.
What is the molecular formula of 2-Mercapto-benzothiazole-6-carboxylic acid?
The molecular formula of 2-Mercapto-benzothiazole-6-carboxylic acid is C8H5NO2S2.
What is the molecular weight of 2-Mercapto-benzothiazole-6-carboxylic acid?
The molecular weight of 2-Mercapto-benzothiazole-6-carboxylic acid is 210.98 g/mol.
Where can I buy 2-Mercapto-benzothiazole-6-carboxylic acid?
You can request a quote for 2-Mercapto-benzothiazole-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercapto-benzothiazole-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercapto-benzothiazole-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.